SCHEMBL6399577

SCHEMBL6399577

O=C(O)CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.52
CPT1A P50416 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HPGD P15428 4/20 0.49
AKR1C3 P42330 1/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
DPP7 Q9UHL4 1/20 0.46
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6394885 0.87 ALDH1A1 (0.58) CPT2CPT1AMEN1KMT2AHPGD
SCHEMBL15975164 0.85 KMT2A (0.52) CPT2CPT1AMEN1KMT2AHPGD
SCHEMBL15686736 0.85 MEN1 (0.52) CPT2CPT1AMEN1KMT2AHPGD
SCHEMBL22145710 0.85 DPP7 (0.54) CPT2CPT1AMEN1KMT2AHPGD
SCHEMBL396861 0.84 HPGD (0.56) CPT2CPT1AMEN1KMT2AHPGD
SCHEMBL30875692 0.84 HPGD (0.56) CPT2CPT1AMEN1KMT2AHPGD
SCHEMBL6393107 0.83 ALDH1A1 (0.58) CPT2CPT1AMEN1KMT2AHPGD
SCHEMBL8608283 0.81 GRIN1 (0.54) AKR1C3ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL30561538 0.80 NOTUM (0.56) CPT2CPT1AMEN1KMT2AHPGD
SCHEMBL3895337 0.80 NOTUM (0.56) CPT2CPT1AMEN1KMT2AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154011-A1 Tetrahydroisoquinolnyl sulfamic acids THE PROCTER & GAMBLE COMPANY 2005-07-14 US disclosed
US-20050009727-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2005-01-13 US disclosed
WO-2004074256-A1 TETRAHYDROISOQUINOLINYL SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050154011-A1 Tetrahydroisoquinolnyl sulfamic acids PTPRS, PTPRJ, PTPRM CPT2 1870/4885CPT1A 500/4885MEN1 4347/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.